(2-nitro-5-propanoyl-phenyl) 4-(2-methylpropanoylamino)benzoate

Systemtic Name: (2-nitro-5-propanoyl-phenyl) 4-(2-methylpropanoylamino)benzoate Openeye Name: (2-nitro-5-propanoyl-phenyl) 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-nitro-5-(1-oxopropyl)phenyl] ester IUPAC Name: (2-nitro-5-propanoylphenyl) 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (2-nitro-5-propionyl-phenyl) ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C20H20N2O6/c1-4-17(23)14-7-10-16(22(26)27)18(11-14)28-20(25)13-5-8-15(9-6-13)21-19(24)12(2)3/h5-12H,4H2,1-3H3,(H,21,24)